BDBM122989 US8742158, EX. 42

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)C(Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=XLXXANFLAQQIII-QUWDGAPNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122989   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 protease (Human immunodeficiency virus)	BDBM122989 (US8742158, EX. 42) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)C(Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)27-12-10-25(33)11-13-27)26(21-38)8-5-6-16-35-31(40)29(19-24-7-3-4-9-28(24)32)36-30(39)23-14-17-34-18-15-23/h3-4,7,9-15,17-18,22,26,29,38H,5-6,8,16,19-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.618	n/a	n/a	n/a	n/a	n/a	n/a
TaiMed Biologies, Inc. US Patent					Assay Description This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...				US Patent US8742158 (2014) BindingDB Entry DOI: 10.7270/Q27H1H7P
					More data for this Ligand-Target Pair